Compound Identification
SMILES
OCC1O[C@@H](OC2=CC(=CC(O)=C2O)C2=C(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C=C3C(O[C@@H]4OC(COC(=O)\C=C\C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C4O)=CC(O)=CC3=[O+]2)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=BIBNUKILYWNEFA-PDJZORSRSA-O
Formula
C42H47O25
Mass
951.812
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavonoid glycosides
- Level 5 Flavonoid O-glycosides
-
Subclass
Flavonoid glycosides
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavonoid glycosides
Intermediate Tree Nodes
Flavonoid O-glycosides - Flavonoid 5-O-p-coumaroyl glycosides - Anthocyanidin 5-O-p-coumaroyl glycosides
Direct Parent
Anthocyanidin 5-O-6-p-coumaroyl glycosides
Alternative Parents
Anthocyanidin-3-O-glycosides Anthocyanidin-5-O-glycosides Anthocyanin-3'-O-glycosides Flavonoid-3-O-glycosides 3'-hydroxyflavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Anthocyanidins Phenolic glycosides Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds 1-benzopyrans Phenoxy compounds Phenol ethers Styrenes Catechols Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Oxanes Enoate esters Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Acetals Polyols Oxacyclic compounds Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Anthocyanidin 5-o-6-p-coumaroyl-glycoside - Anthocyanin - Anthocyanidin-3p-o-glycoside - Anthocyanidin-5-o-glycoside - Anthocyanidin-3-o-glycoside - Flavonoid-3-o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - Anthocyanidin - Phenolic glycoside - Cinnamic acid ester - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - O-glycosyl compound - Glycosyl compound - Benzopyran - 1-benzopyran - Styrene - Phenol ether - Phenoxy compound - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Fatty acid ester - Oxane - Monosaccharide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Acetal - Polyol - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Primary alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anthocyanidin 5-o-6-p-coumaroyl glycosides. These are anthocyanidin 5-O-glycosides where the carbohydrate moiety is esterified at the C6 position with a p-coumaric acid. P-coumaric acid is an organic derivative of cinnamic acid, that carries a hydroxyl group at the 4-position of the benzene ring.
External Descriptors
LIPIDMAPS (LMPK12010315) : Anthocyanidins